N-[(Z)-[3,4-bis(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]-4-chlorobenzenesulfonamide
Formula:C21H14N3O2Cl3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3,4-bis(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]-4-chlorobenzenesulfonamide is not a drug-like molecule.
| MolName | N-[(Z)-[3,4-bis(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]-4-chlorobenzenesulfonamide |
| MolecularFormula | C21H14N3O2Cl3S2 |
| Smiles | O=S(c(cc1)ccc1Cl)(N/N=C1\SC=C(c(cc2)ccc2Cl)N1c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C21H14Cl3N3O2S2/c22-15-3-1-14(2-4-15)20-13-30-21(27(20)18-9-5-16(23)6-10-18)25-26-31(28,29)19-11-7-17(24)8-12-19/h1-13,26H |
| InChIK | IUSMXQHQZACSCO-UHFFFAOYSA-N |
| TotalMolweight | 510.852 |
| Molweight | 510.852 |
| MonoisotopicMass | 508.959298 |
| CLogP | 6.2629 |
| CLogS | -6.488 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 341.05 |
| Relative PSA | 0.21284 |
| PolarSurfaceArea | 95.45 |
| Druglikeness | 4.9039 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| StereoCon |
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1 - N-[(Z)-[3,4-bis(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]-4-chlorobenzenesulfonamide | 2 - N-[(Z)-[3,4-bis(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]-4-chlorobenzenesulfonamide
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